Sugi Predict

Sugi Predict / Compounds / SCHEMBL20925463

SCHEMBL20925463

SCHEMBL20925463

CCCCC(CCOCC)NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 10/20 0.62
▸ PLA2G2A P14555 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ CTSK P43235 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6547737 0.85 PLA2G2C (0.62) PLA2G2CPLA2G2ACA1CA2
SCHEMBL11506429 0.81 PLA2G2C (0.59) PLA2G2CPLA2G2ACA1CA2TAS1R3
SCHEMBL28751562 0.80 PLA2G2C (0.67) PLA2G2CPLA2G2ACA2
SCHEMBL2666554 0.80 PLA2G2C (0.67) PLA2G2CPLA2G2ACA2
SCHEMBL24124368 0.79 PLA2G2C (0.71) PLA2G2CPLA2G2ACA1CA2TAS1R3
SCHEMBL11606057 0.77 PLA2G2C (0.64) PLA2G2CPLA2G2A
SCHEMBL13715798 0.77 PLA2G2C (0.59) PLA2G2CPLA2G2ACA1CA2
SCHEMBL19271824 0.77 PLA2G2C (0.64) PLA2G2CPLA2G2A
SCHEMBL19271786 0.77 PLA2G2C (0.64) PLA2G2CPLA2G2A
SCHEMBL6940595 0.77 PLA2G2C (0.64) PLA2G2CPLA2G2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970104-B1 BICYCLIC ANALGESIC COMPOUNDS ZENO ROYALTIES & MILESTONES LLC (US) 2019-04-24 — — EP disclosed